[4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate

C20H32N2O3 — CID 143795462

IUPAC[4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate
SMILESCC(C)CCC(=O)Nc1ccc(COC(=O)N(C)C(C)C(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-14(2)7-12-19(23)21-18-10-8-17(9-11-18)13-25-20(24)22(6)16(5)15(3)4/h8-11,14-16H,7,12-13H2,1-6H3,(H,21,23)
InChIKeyUEBYNSCONRUQAE-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.67
Rot. Bonds8

About [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate

[4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate (PubChem CID 143795462) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name[4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate
PubChem CID143795462
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name[4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate
SMILESCC(C)CCC(=O)Nc1ccc(COC(=O)N(C)C(C)C(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-14(2)7-12-19(23)21-18-10-8-17(9-11-18)13-25-20(24)22(6)16(5)15(3)4/h8-11,14-16H,7,12-13H2,1-6H3,(H,21,23)
InChIKeyUEBYNSCONRUQAE-UHFFFAOYSA-N
XLogP4.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[2-[[2-(butanoylamino)-3-methylbutanoyl]amino]acetyl]amino]phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate
CID 139542635
[4-[3-[(2R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoylamino]phenyl]methyl N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-methylcarbamate
CID 164901991
[4-[3-[(2R,4S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropanoylamino]phenyl]methyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 164901996
[4-[[5-amino-2-(3-methylbutanoylamino)pentanoyl]amino]phenyl]methyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 146232268
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
(2S)-2-[[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]methoxycarbonyl-methylamino]-3-propoxypropanoic acid
CID 162525139
N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide
CID 167077697
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
(2R)-2-[[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]methoxycarbonyl-methylamino]butanoic acid
CID 176911651
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
[4-[5-(carbamoylamino)pentanoylamino]phenyl]methyl N-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]carbamate
CID 142369611
[4-[4-(propan-2-ylamino)butanoylamino]phenyl]methyl acetate
CID 144997484

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate?
The IUPAC name of [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate (CID 143795462) is [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate.
What is the SMILES notation for [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate?
The canonical SMILES for [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate is CC(C)CCC(=O)Nc1ccc(COC(=O)N(C)C(C)C(C)C)cc1.
What is the InChIKey of [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate?
The InChIKey is UEBYNSCONRUQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(2)7-12-19(23)21-18-10-8-17(9-11-18)13-25-20(24)22(6)16(5)15(3)4/h8-11,14-16H,7,12-13H2,1-6H3,(H,21,23).
What are the key properties of [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate?
[4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate has a molecular weight of 348.49 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 143795462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).